SCHEMBL3055910

SCHEMBL3055910

FC(F)(F)N1CCn2cccc2C1c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.47
KDM4E B2RXH2 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 10/20 0.44
KMT2A Q03164 7/20 0.43
MEN1 O00255 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
GAA P10253 2/20 0.39
MAPK1 P28482 1/20 0.39
CYP3A4 P08684 1/20 0.38
KCNH2 Q12809 1/20 0.38
MCHR1 Q99705 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HTT P42858 2/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13162094 0.77 ALDH1A1 (0.50) ALDH1A1KDM4EL3MBTL1MAPTKMT2A
SCHEMBL11484185 0.71 MAPT (0.47) ALDH1A1KDM4EL3MBTL1MAPTKMT2A
SCHEMBL11489944 0.70 MAPT (0.49) ALDH1A1KDM4EL3MBTL1MAPTKMT2A
SCHEMBL2415260 0.70 ALDH1A1 (0.52) ALDH1A1KDM4EL3MBTL1MAPTKMT2A
SCHEMBL2753245 0.68 ALDH1A1 (0.56) ALDH1A1KDM4EL3MBTL1MAPTKMT2A
SCHEMBL21393188 0.68 ALDH1A1 (0.59) ALDH1A1KDM4EL3MBTL1MAPTKMT2A
SCHEMBL2422709 0.68 ALDH1A1 (0.59) ALDH1A1KDM4EL3MBTL1MAPTKMT2A
SCHEMBL2422479 0.67 ALDH1A1 (0.58) ALDH1A1KDM4EL3MBTL1MAPTKMT2A
SCHEMBL1267536 0.67 ALDH1A1 (0.58) ALDH1A1KDM4EL3MBTL1MAPTKMT2A
SCHEMBL4783999 0.66 KDM4E (0.50) ALDH1A1KDM4EL3MBTL1MAPTCYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2229395-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-09-22 EP disclosed
WO-2009090054-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-07-23 WO disclosed